SCHEMBL1937460

SCHEMBL1937460

COC(=O)c1cnc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.50
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
BTK Q06187 5/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
JAK1 P23458 5/20 0.40
JAK2 O60674 2/20 0.40
MERTK Q12866 1/20 0.39
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CFTR P13569 1/20 0.38
DRD2 P14416 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1937464 1.00 PCSK9 (0.50) PCSK9PIK3CAMTORPRKDCKDM1A
SCHEMBL27261334 0.93 PCSK9 (0.54) PCSK9PIK3CAMTORPRKDCKDM1A
SCHEMBL2177020 0.89 CKS1B (0.46) PCSK9PIK3CAMTORPRKDCKDM1A
SCHEMBL2177023 0.89 CKS1B (0.46) PCSK9PIK3CAMTORPRKDCKDM1A
SCHEMBL30238614 0.83 BTK (0.44) PIK3CAMTORPRKDCKDM1AMAOB
SCHEMBL28486799 0.83 BTK (0.44) PIK3CAMTORPRKDCKDM1AMAOB
SCHEMBL25190135 0.81 ALDH1A1 (0.54) PCSK9JAK1MAPK1ALDH1A1
SCHEMBL27261349 0.81 BTK (0.41) PCSK9KDM1AMAOBBTKCKS1B
SCHEMBL3256047 0.79 PCSK9 (0.58) PCSK9MAPK1ALDH1A1LMNA
SCHEMBL15223282 0.79 BTK (0.47) PIK3CAMTORPRKDCKDM1AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 PCSK9 1700/4885PIK3CA 651/4885MTOR 125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.